SCHEMBL515453

SCHEMBL515453

O=CC(O)CC1CCCCC1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ADH1B P00325 1/20 0.40
ADH1C P00326 1/20 0.40
ADH1A P07327 1/20 0.40
ADH4 P08319 1/20 0.40
ADH7 P40394 1/20 0.40
AKR1B1 P15121 1/20 0.39
CTSL P07711 1/20 0.37
CTSB P07858 1/20 0.37
CTSK P43235 1/20 0.37
HPGD P15428 2/20 0.36
EPHX1 P07099 1/20 0.36
KMT2A Q03164 1/20 0.36
PTGER4 P35408 1/20 0.36
PTGER3 P43115 1/20 0.36
PTGER2 P43116 1/20 0.36
EPHX2 P34913 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL12226262 0.88
SCHEMBL18526419 0.78 METAP1 (0.47) ADH1BADH1CADH1AADH4ADH7
SCHEMBL10597079 0.77 IDO1 (0.37) CTSKPTGER4PTGER3PTGER2
SCHEMBL9575838 0.77 IDO1 (0.37) CTSKPTGER4PTGER3PTGER2
SCHEMBL8901183 0.77 IDO1 (0.34) PTGER4PTGER3PTGER2
SCHEMBL9575583 0.77 IDO1 (0.37) CTSKPTGER4PTGER3PTGER2
SCHEMBL9450427 0.77 IDO1 (0.37) CTSKPTGER4PTGER3PTGER2
SCHEMBL13723044 0.76 ADH1B (0.43) ADH1BADH1CADH1AADH4ADH7
SCHEMBL6085440 0.74 IDO1 (0.32) PTGER4PTGER3PTGER2
SCHEMBL9575433 0.74 IDO1 (0.35) PTGER4PTGER3PTGER2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 43 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120027706-A1 METHODS FOR TREATING SKIN PIGMENTATION SHAPIRO STANLEY S (US) 2012-02-02 US claimed
JP-4401441-B2 2010-01-20 JP claimed
US-20080249029-A1 Administering (S)-N-Methyl-D-phenylalanyl-N-[4-[(aminoiminomethyl)aminol-1-(2-benzothiazolylcarbonyl)butyl-L-prolinamide as a protease activated receptor-2 modulator SHAPIRO STANLEY S 2008-10-09 US claimed
EP-0833839-B1 PEPTIDYL HETEROCYCLES USEFUL IN THE TREATMENT OF THROMBIN RELATED DISORDERS ORTHO PHARMA CORP (US) 2003-01-08 EP claimed
EP-0886647-B1 SERINE PROTEASE INHIBITORS AKZO NOBEL NV (NL) 2002-07-24 EP claimed
US-6323219-B1 PRODRUGS AND PEPTIDES FOR ANTIINFLAMMATORY AGENTS ORTHO-MCNEIL PHARMACEUTICAL, INC. 2001-11-27 US claimed
JP-2001502360-A 2001-02-20 JP claimed
EP-0948308-A1 METHODS FOR TREATING SKIN PIGMENTATION JOHNSON & JOHNSON CONSUMER PRODUCTS, INC. (US) 1999-10-13 EP claimed
WO-1999004752-A9 METHODS FOR TREATING SKIN PIGMENTATION JOHNSON & JOHNSON CONSUMER (US) 1999-04-08 WO claimed
CN-1212705-A Serine protease inhibitors AKZO NOBEL NV (NL) 1999-03-31 CN claimed
WO-1999004752-A2 METHODS FOR TREATING SKIN PIGMENTATION JOHNSON & JOHNSON CONSUMER COMPANIES, INC. (US) 1999-02-04 WO claimed
CN-1192747-A Peptidyl heterocyclic compounds for the treatment of thrombin-related diseases ORTHO PHARMA CORP (US) 1998-09-09 CN claimed
EP-0833839-A1 PEPTIDYL HETEROCYCLES USEFUL IN THE TREATMENT OF THROMBIN RELATED DISORDERS ORTHO PHARMACEUTICAL CORPORATION (US) 1998-04-08 EP claimed
WO-1996040741-A1 PEPTIDYL HETEROCYCLES USEFUL IN THE TREATMENT OF THROMBIN RELATED DISORDERS ORTHO PHARMACEUTICAL CORPORATION (US) 1996-12-19 WO claimed
WO-1996040742-A1 PEPTIDYL HETEROCYCLES USEFUL IN THE TREATMENT OF THROMBIN RELATEDDISORDERS ORTHO PHARMACEUTICAL CORPORATION (US) 1996-12-19 WO claimed
WO-1996040748-A1 PEPTIDYL HETEROCYCLES USEFUL IN THE TREATMENT OF THROMBIN RELATED DISORDERS ORTHO PHARMACEUTICAL CORPORATION (US) 1996-12-19 WO claimed
US-5523308-A SERINE PROTEASES INHIBITORS; ORAL ANTICOAGULANTS; CHEMICAL INTERMEDIATES; DIPEPTIDES ORTHO PHARMACEUTICAL CORPORATION 1996-06-04 US claimed
CN-1234735-B Use of soybean trypsin inhibitors affecting the PAR-2 pathway to affect changes in skin pigmentation JOHNSON & JOHNSON CONSUMER PRODUCTS, INC. (US) 2015-09-16 CN disclosed
WO-1996040741-A1 PEPTIDYL HETEROCYCLES USEFUL IN THE TREATMENT OF THROMBIN RELATED DISORDERS ORTHO PHARMACEUTICAL CORPORATION (US) 1996-12-19 WO disclosed
US-5523308-A SERINE PROTEASES INHIBITORS; ORAL ANTICOAGULANTS; CHEMICAL INTERMEDIATES; DIPEPTIDES ORTHO PHARMACEUTICAL CORPORATION 1996-06-04 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20120027706-A1 METHODS FOR TREATING SKIN PIGMENTATION TYR, MC1R, NQO1 ADH1B 52/4885ADH1C 3779/4885ADH1A 3616/4885
US-20080249029-A1 Administering (S)-N-Methyl-D-phenylalanyl-N-[4-[(aminoiminomethyl)aminol-1-(2-benzothiazolylcarbonyl)butyl-L-prolinamide as a protease activated receptor-2 modulator MC1R, F2RL1, F2R ADH1B 731/4885ADH1C 4680/4885ADH1A 3994/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.